N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide

C17H21NO2S — CID 25036710

IUPACN-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C17H21NO2S/c1-4-14(3)16-10-5-6-11-17(16)18-21(19,20)15-9-7-8-13(2)12-15/h5-12,14,18H,4H2,1-3H3
InChIKeySPKDQXOPAFYRRM-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.31
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide

N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide (PubChem CID 25036710) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
PubChem CID25036710
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C17H21NO2S/c1-4-14(3)16-10-5-6-11-17(16)18-21(19,20)15-9-7-8-13(2)12-15/h5-12,14,18H,4H2,1-3H3
InChIKeySPKDQXOPAFYRRM-UHFFFAOYSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide (CID 25036710) is N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is SPKDQXOPAFYRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-14(3)16-10-5-6-11-17(16)18-21(19,20)15-9-7-8-13(2)12-15/h5-12,14,18H,4H2,1-3H3.
What are the key properties of N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide?
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 25036710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).